MassBank Record: JP004509



 1,2,5-TRI-O-ACETYL-3,4,6-TRI-O-METHYLHEXITOL (1-D); EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP004509
RECORD_TITLE: 1,2,5-TRI-O-ACETYL-3,4,6-TRI-O-METHYLHEXITOL (1-D); EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: SEYAMA YDEPT. OF PHYSIOL. CHEMISTRY AND NUTRITION, FAC. OF MEDICINE, UNIV. OF TOKYO, DEPT. OF PHYSIOL. CHEMISTRY AND NUTRITION, FAC. OF MEDICINE, UNIV. OF TOKYO
LICENSE: CC BY-NC-SA

CH$NAME: 1,2,5-TRI-O-ACETYL-3,4,6-TRI-O-METHYLHEXITOL (1-D) CH$NAME: 1,2,5-TRIACETOXY-3,4,6-TRIMETHOXYHEXANE (1-D) CH$COMPOUND_CLASS: N/A CH$FORMULA: C15H26O9 CH$EXACT_MASS: 350.15768 CH$SMILES: COCC(OC(C)=O)C(OC)C(OC)C(OC(C)=O)C([H])([2H])OC(C)=O CH$IUPAC: InChI=1S/C15H26O9/c1-9(16)22-8-13(24-11(3)18)15(21-6)14(20-5)12(7-19-4)23-10(2)17/h12-15H,7-8H2,1-6H3/i8D CH$LINK: INCHIKEY JTIPYRUUQYKTIG-BNEYPBHNSA-N
AC$INSTRUMENT: SHIMADZU LKB-9000B AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-01rx-4900000000-ae5f849b4266971a30eb PK$NUM_PEAK: 53 PK$PEAK: m/z int. rel.int. 41 1.9 19 42 2.2 22 43 72.6 726 44 0.25 3 45 27.2 272 46 1.2 12 57 1 10 59 0.25 3 60 1 10 70 1.7 17 71 8.5 85 72 0.54 5 73 1.5 15 74 5.8 58 75 4 40 85 0.27 3 86 1.2 12 87 25.3 253 88 30 300 89 0.61 6 98 1.5 15 99 2.7 27 100 16.3 163 101 1.97 20 102 4.7 47 103 1.2 12 104 1.7 17 112 0.15 2 113 5 50 114 3.7 37 115 1.9 19 116 0.15 2 117 3.9 39 118 3.2 32 119 5.2 52 126 0.13 1 129 99.99 999 130 89.7 897 131 10.3 103 132 0.2 2 143 1.2 12 144 1.1 11 145 10.8 108 146 0.12 1 160 2 20 161 69 690 162 5.9 59 174 0.22 2 189 1.9 19 190 44.3 443 191 3.8 38 205 0.21 2 234 1.6 16 //

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